CID 343801

4-(4-chlorobenzenesulfonyl)phenol

Structural Information

Molecular Formula
C12H9ClO3S
SMILES
C1=CC(=CC=C1O)S(=O)(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H9ClO3S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8,14H
InChIKey
LFASIQLVFCSCCU-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)sulfonylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

726
Patents

267.9961 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.003376 153.1
[M+Na]+ 290.985318 163.6
[M-H]- 266.988824 159.6
[M+NH4]+ 286.029923 170.5
[M+K]+ 306.959258 157.7
[M+H-H2O]+ 250.993360 148.0
[M+HCOO]- 312.994301 166.5
[M+CH3COO]- 327.009951 188.3
[M+Na-2H]- 288.970766 157.9
[M]+ 267.99555142 157.2
[M]- 267.99664858 157.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe